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VREFYZVJRZHMHR-FZSMXKCYSA-N
SpectraBase Compound ID BLQRkKE0Ngh
InChI InChI=1S/C18H36O3S6.C4H7NO/c19-16-10-22-4-1-5-23-11-17(20)13-25-7-3-9-27-15-18(21)14-26-8-2-6-24-12-16;1-4(6)2-3-5/h16-21H,1-15H2;4,6H,2H2,1H3/t;4-/m.1/s1
InChIKey VREFYZVJRZHMHR-FZSMXKCYSA-N
Mol Weight 577.9 g/mol
Molecular Formula C22H43NO4S6
Exact Mass 577.151636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UKpsXHpEq1
Name VREFYZVJRZHMHR-FZSMXKCYSA-N
Compound Number 2/27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H43NO4S6
InChI InChI=1S/C18H36O3S6.C4H7NO/c19-16-10-22-4-1-5-23-11-17(20)13-25-7-3-9-27-15-18(21)14-26-8-2-6-24-12-16;1-4(6)2-3-5/h16-21H,1-15H2;4,6H,2H2,1H3/t;4-/m.1/s1
InChIKey VREFYZVJRZHMHR-FZSMXKCYSA-N
Literature Reference Author T.ITOH,Y.TAKAGI,T.MURAKAMI,Y.HIYAMA,H.TSUKUBE
Literature Reference Citation J.ORG.CHEM.,61,2158(1996)
Literature Reference DOI 10.1021/jo951598+
Molecular Weight 577.948 g/mol
Solvent CDCl3;2-EQUIVALENTS-CROWN-ETHER